N-(3-bromophenyl)-7,8-dimethoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine

Systemtic Name: N-(3-bromophenyl)-7,8-dimethoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine Openeye Name: N-(3-bromophenyl)-7,8-dimethoxy-benzothiopheno[3,2-d]pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-7,8-dimethoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine IUPAC Name: N-(3-bromophenyl)-7,8-dimethoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine Traditional Name: (3-bromophenyl)-(7,8-dimethoxybenzothiopheno[3,2-d]pyrimidin-4-yl)amine Formula: C18H14BrN3O2S MolecularWeight: 416.29166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(S2)C(=NC=N3)NC4=CC(=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(S2)C(=NC=N3)NC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C18H14BrN3O2S/c1-23-13-7-12-15(8-14(13)24-2)25-17-16(12)20-9-21-18(17)22-11-5-3-4-10(19)6-11/h3-9H,1-2H3,(H,20,21,22)